Structure calculations were performed using the package ARIA 1.1 (Ambiguous Restraints in Iterative Assignment). Final structures are based on 832 unambiguous NOE-derived distance constraints, 1 set of ambiguous NOE-derived distance constraints and 19 additional dihedral angle restraints.

NMR Ensemble Information

Conformer Selection Criteria

structures with the lowest energy

Conformers Calculated Total Number

500

Conformers Submitted Total Number

20

Representative Model Choice Rationale

1

lowest energy

Additional NMR Experimental Information

1

This structure was determined using standard 2D NMR homonuclear techniques